| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2009 | 26 | Yes |
Popular Name: 2-(3-(3-(4-Hydroxyphenyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoic acid 2-(3-(3-(4-Hydroxyphenyl)-1,2,4-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 960605-08-7 , N/A
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.86 | 3.66 | -53 | 2 | 8 | -1 | 128 | 352.326 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HCAR2-1-E | HM74 Nicotinic Acid GPCR (cluster #1 Of 4), Eukaryotic | Eukaryotes | 460 | 0.34 | Binding ≤ 10μM |
| Z50594-1-O | Mus Musculus (cluster #1 Of 9), Other | Other | 6900 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HCAR2_MOUSE | Q9EP66 | HM74 Nicotinic Acid GPCR, Mouse | 460 | 0.34 | Binding ≤ 1μM |
| HCAR2_HUMAN | Q8TDS4 | Nicotinic Acid Receptor 1, Human | 10 | 0.43 | Binding ≤ 1μM |
| HCAR2_MOUSE | Q9EP66 | HM74 Nicotinic Acid GPCR, Mouse | 1600 | 0.31 | Binding ≤ 10μM |
| HCAR2_HUMAN | Q8TDS4 | Nicotinic Acid Receptor 1, Human | 10 | 0.43 | Binding ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 6900 | 0.28 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events | |
| Hydroxycarboxylic acid-binding receptors |
No pre-computed analogs available. Try a structural similarity search.